Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9940816 | 0.79 | KEAP1 (0.55) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL1403926 | 0.76 | KEAP1 (0.50) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL2788657 | 0.75 | KEAP1 (0.59) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL2238914 | 0.74 | CYP2D6 (0.66) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL846064 | 0.74 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL19414026 | 0.74 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL5717261 | 0.74 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL28257085 | 0.74 | CYP2D6 (0.66) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL10709838 | 0.74 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 | |
| SCHEMBL6233655 | 0.74 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118439920-A | Alkenyl-containing liquid crystal compound and preparation method and application thereof | 北京八亿时空液晶科技股份有限公司 | 2024-08-06 | — | — | CN | disclosed |